Difference between revisions of "CPD-786"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] == * smiles: ** C(CCC=CC(C([O-])=O)=O)([O-])=O * common name: ** (4Z)-2-oxohep...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(CCC=CC(C([O-])=O)=O)([O-])=O | ** C(CCC=CC(C([O-])=O)=O)([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 170.121 | ** 170.121 | ||
| + | * inchi key: | ||
| + | ** InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L | ||
| + | * common name: | ||
| + | ** (4Z)-2-oxohept-4-enedioate | ||
* Synonym(s): | * Synonym(s): | ||
** OHED | ** OHED | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573699.html 4573699] | ** [http://www.chemspider.com/Chemical-Structure.4573699.html 4573699] | ||
| Line 26: | Line 24: | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C03063 C03063] | ** [http://www.genome.jp/dbget-bin/www_bget?C03063 C03063] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543150 9543150] | ||
{{#set: smiles=C(CCC=CC(C([O-])=O)=O)([O-])=O}} | {{#set: smiles=C(CCC=CC(C([O-])=O)=O)([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=170.121 }} | {{#set: molecular weight=170.121 }} | ||
| + | {{#set: inchi key=InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L}} | ||
| + | {{#set: common name=(4Z)-2-oxohept-4-enedioate}} | ||
{{#set: common name=OHED|2-oxo-hept-3-ene-1,7-dioate}} | {{#set: common name=OHED|2-oxo-hept-3-ene-1,7-dioate}} | ||
{{#set: produced by=RXN1K-87}} | {{#set: produced by=RXN1K-87}} | ||
Latest revision as of 10:42, 10 January 2019
Contents
Metabolite CPD-786
- smiles:
- C(CCC=CC(C([O-])=O)=O)([O-])=O
- molecular weight:
- 170.121
- inchi key:
- InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L
- common name:
- (4Z)-2-oxohept-4-enedioate
- Synonym(s):
- OHED
- 2-oxo-hept-3-ene-1,7-dioate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(CCC=CC(C([O-])=O)=O)([O-])=O" cannot be used as a page name in this wiki.
